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N-(3-chlorophenyl)-N'-(3-pyridinylmethyl)thiourea
SpectraBase Compound ID JPxQRxKloKj
InChI InChI=1S/C13H12ClN3S/c14-11-4-1-5-12(7-11)17-13(18)16-9-10-3-2-6-15-8-10/h1-8H,9H2,(H2,16,17,18)
InChIKey MXJDRCSUIDNGRW-UHFFFAOYSA-N
Mol Weight 277.77 g/mol
Molecular Formula C13H12ClN3S
Exact Mass 277.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ls6AxaYyW
Name 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea
Alternate Name(s) 1-(3-Chlorophenyl)-3-(3-pyridinylmethyl)thiourea
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Formula C13H12ClN3S
InChI InChI=1S/C13H12ClN3S/c14-11-4-1-5-12(7-11)17-13(18)16-9-10-3-2-6-15-8-10/h1-8H,9H2,(H2,16,17,18)
InChIKey MXJDRCSUIDNGRW-UHFFFAOYSA-N
Molecular Weight 277.773 g/mol
SMILES N(C(=S)NCc1cnccc1)c1cc(Cl)ccc1
SPLASH splash10-00mo-5920000000-0fc44025b42eb6de74fa
Source of Spectrum EMC-74-321-22
Wiley ID 1739928